quantum_package/scripts/ezfio_interface/convert_ezfio.sh

#!/bin/bash
#  Convert a old ezfio file (with option.irp.f ezfio_default)
# into a new EZFIO.cfg type

# Hartree Fock
# Changin the case, don't know if is needed or not 
mv $1/Hartree_Fock $1/hartree_fock
mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf

mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf

# BiInts
mv $1/bi_integrals $1/bielect_integrals
Add convert_ezfio.sh 2015-03-30 11:21:34 +02:00			`#!/bin/bash`
			`# Convert a old ezfio file (with option.irp.f ezfio_default)`
			`# into a new EZFIO.cfg type`
BiInt => Bielec_integrals 2015-03-31 09:58:25 +02:00
			`# Hartree Fock`
			`# Changin the case, don't know if is needed or not`
Fix unit_test 2015-03-30 11:47:56 +02:00			`mv $1/Hartree_Fock $1/hartree_fock`
			`mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf`
BiInt => Bielec_integrals 2015-03-31 09:58:25 +02:00
			`mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf`

			`# BiInts`
			`mv $1/bi_integrals $1/bielect_integrals`